Search NASA⌕ Search

SEARCH · Search NASA

Results for “Extended X-ray absorption fine structure”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

1,118 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Weibel-mediated filamentary structures observed in the ICF context

Here, in light of novel and past experimental results, we demonstrate how Weibel-mediated filamentary structures can develop in the expanding plasma plume of a laser-irradiated foil. The transverse ballistic cooling that occurs during the quasi-spherical plasma expansion naturally drives an electron pressure anisotropy, resulting in the growth of electron current filaments. This effect competes with electron–ion Coulomb collisions, which tend to isotropize the electron distribution function. Based on theoretical and particle-in-cell modeling, we provide estimates of the dominant wavelength and amplitude of the self-generated magnetic fluctuations, which are found to explain experimental data obtained at the OMEGA and Laser Megajoule facilities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Strong anharmonicity dictates ultralow thermal conductivities of type-I clathrates

Type-I clathrate solids have attracted significant interest due to their ultralow thermal conductivities and sub- sequent promise for thermoelectric applications, yet the mechanisms underlying these properties are not well understood. Here, we extend the framework of vibrational dynamical mean-field theory (VDMFT) to calculate temperature-dependent thermal transport properties of solids using a many-body Green’s function approach. When applied to a coarse-grained description of 𝑋 8 Ga 16 Ge 30 , where 𝑋= Ba, Sr, we find that nonresonant scattering between cage acoustic modes and rattling modes leads to a reduction of acoustic phonon lifetimes and thus thermal conductivities. Moreover, we find that the moderate temperature dependence of conductivities above 300 K, which is consistent with experimental measurements, cannot be reproduced by textbook perturbation theory calculations, which predict a 𝑇 −1 dependence. Therefore, we suggest that nonperturbative anharmonic effects, including four- and higher-phonon scattering processes, are responsible for the ultralow thermal conductivities of type-I clathrates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

HydraGNN_Predictive_GFM_2026 - Ensemble of predictive graph foundation models for atomistic materials modeling

This release contains data and parameters of HydraGNN-based graph foundation models trained as a result of the work published in the pre-print "Exascale Multi-Task Graph Foundation Models for Imbalanced, Multi-Fidelity Atomistic Data" by M. Lupo Pasini et al. (https://arxiv.org/abs/2604.15380). We jointly train on 16 open first-principles datasets (544+ million structures covering 85+ elements) using a multi-task architecture with per-dataset heads and a scalable ADIOS2/DDStore data pipeline. On Frontier, we execute six large-scale DeepHyper hyperparameter optimization campaigns in FP64 and promote the top-performing message-passing models to sustained 2,048-node training, yielding a PaiNN-based lead model. The version of HydraGNN used to generate the outputs provided in this release is HydraGNN v5.0 (https://github.com/ORNL/HydraGNN/releases/tag/v5.0) The list of datasets used for the training of the graph foundation model is the following: 1) Alexandria [1] 2) ANI1x [2] 3) MPTrj [3] 4) Open Catalyst 2020 (OC20) [4] 5) Open Catalyst 2022 (OC22) [5] 6) Open Catalyst 2025 (OC25) [6] 7) Open Direct ir Capture 2023 (ODAC23) [7] 8) Open Materials 2024 (OMat24) [8] 9) Open Molecules 2025 (OMol25) [9] 10) OMol25-neutral (subset of OMol25 that contains only molecules with zero total charge) 11) OMol25-non-neutral (subset of OMol25 that contains only molecules with non-zero total charge) 12) Open Polymers 2026 (OPoly2026) [10] 13) Nabla2DFT [11] 14) QCML [12] 15) QM7X [reference 13] 16) transition1x [14] Dataset references: [1] J. Schmidt et al., “A dataset of 175k stable and metastable materials calculated with the PBEsol and SCAN functionals,” Scientific Data, vol. 9, p. 64, 2022. [2] J. S. Smith et al., “The ANI-1ccx and ANI-1x data sets, coupled-cluster and density functional theory properties for molecules,” Scientific Data, vol. 7, p. 134, 2020. [Online]. Available: https: //www.nature.com/articles/s41597-020-0473-z [3] A. Jain et al., “Commentary: The Materials Project: A materials genome approach to accelerating materials innovation,” APL Materials, vol. 1, no. 1, p. 011002, 07 2013. [Online]. Available: https://doi.org/10.1063/1.4812323 [4] L. Chanussot et al., “Open catalyst 2020 (oc20) dataset and community challenges,” ACS Catalysis, vol. 11, no. 10, pp. 6059–6072, 2021. [Online]. Available: https://doi.org/10.1021/acscatal.0c04525 [5] K. Tran et al., “Open catalyst 2022 (oc22) dataset and challenges for oxidation electrocatalysts,” ACS Catalysis, vol. 13, no. 5, pp. 3066–3084, 2023. [Online]. Available: https://doi.org/10.1021/acscatal.2c05426 [6] S. J. Sahoo et al., “The open catalyst 2025 (oc25) dataset and models for solid-liquid interfaces,” arXiv preprint arXiv:2509.17862, 2025. [Online]. Available: https://arxiv.org/abs/2509.17862 [7] A. Sriram et al., “The open DAC 2023 dataset and challenges for sorbent discovery in direct air capture,” ACS Central Science, vol. 10, no. 5, pp. 923–941, 2024. [8] L. Barroso-Luque et al., “Open materials 2024 (omat24) inorganic materials dataset and models,” 2024. [Online]. Available: https://arxiv.org/abs/2410.12771 [9] D. S. Levine et al., “The open molecules 2025 (OMol25) dataset, evaluations, and models,” 2025. [Online]. Available: https://arxiv.org/abs/2505.08762 [10] D. S. Levine et al., The open polymers 2026 (OPoly26) dataset and evaluations,” arXiv preprint arXiv:2512.23117, 2025. [Online]. Available: https://arxiv.org/abs/2512.23117 [11] K. Khrabrov et al., “Nabla2dft: A universal quantum chemistry dataset of drug-like molecules and a benchmark for neural network potentials,” in NeurIPS 2024 Datasets and Benchmarks Track, 2024. [Online]. Available: https://openreview.net/forum?id=ElUrNM9U8c [12] S. Ganscha et al., “The QCML dataset, quantum chemistry reference data from 33.5M DFT and 14.7B semi-empirical calculations,” Scientific Data, vol. 12, p. 406, 2025. [13] J. Hoja et al., “QM7-X, a comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic molecules,” Scientific Data, vol. 8, p. 43, 2021. [Online]. Available: https://www.nature.com/articles/s41597-021-00812-2 [14] M. Schreiner et al., “Transition1x - a dataset for building generalizable reactive machine learning potentials,” Scientific Data, vol. 9, p. 779, 2022. The folder "datasets_ADIOS2_format" contains the set of pre-processed datasets in Adaptable I/O System (ADIOS) format (https://www.exascaleproject.org/research-project/adios/) that have been used for the development and training of GFMs in this work. The "datasets_ADIOS2_format" directory contains 2 sub-directories, one for the version "v1" of the datasets and one for the version "v2" of the datasets. The version "v1" of the datasets provides values of the total energy as they are extracted from the original data as it was released by the respective institutions. The version "v2" of the datasets provides values of the energy that have been realigned. The realignment was performed by training a linear regression model that predicts the total energy as a function of the chemical composition of the atomistic structure, and then subtract such prediction from the original value of the total energy. Both folders "v1" and "v2" contain 16 sub-directories, each corresponding to an ADIOS2-formatted dataset The folder "DeepHyper-results" contains the configurational files and model's parameters for all the 186 HPO trials that were successfully completed by the scalable hyperparameter optimization (HPO) runs on Frontier. The content of the folder "DeepHyper-results" I structured as follows: 1) task-list.txt: list of mpnn name, jobid, and deephyper task id 2) gfm_${MPNN}_${JOBID}_0.${TASKID}: run directory with checkpoint files 3) gfm_${MPNN}: deephyper summary directory (*.csv) for each specific MPNN type 4) deephyper-experiment-${JOBID}: output and error logs for each job The file "deephyper-sorted.csv" contains the details of each HydraGNN model built and tested by HPO, obtained by merging the (*.csv) filed from each HPO run executed. Out of all the HPO trials, we selected 10 to continue the training of the respective HydraGNN models. Due to limited computational budget available in the LRN070 allocation we could not complete the training till convergence for all these 10 selected models. The folder "models" contains multiple sub-folders, one per each HydraGNN model trained. Each model sub-folder contains the parameters of each HydraGNN model, with multiple checkpoint-restarts. The list of sub-folders are as follows: 1) multidataset_hpo-BEST1-fp64 2) multidataset_hpo-BEST2-fp64 3) multidataset_hpo-BEST3-fp64 4) multidataset_hpo-BEST4-fp64 5) multidataset_hpo-BEST5-fp64 6) multidataset_hpo-BEST6-fp64 7) multidataset_hpo-BEST7-fp64 8) multidataset_hpo-BEST8-fp64 9) multidataset_hpo-BEST9-fp64 10) multidataset_hpo-BEST10-fp64 Within each one of these folders, additional auxiliary log files are provided with descriptions about how the training proceeded. The lead PaiNN-model is contained inside "multidataset_hpo-BEST6-fp64". The file "mlp_branch_weights" contains the parameters of the multi-layer perceptron (MLP) used to reconcile the predictions of the 16 output decoding heads of the HydragNN architectures. The MLP takes in input the chemical composition of the atomistic structure and predicts averaging weights to linearly mix the predictions of each output decoding head toward consolidating them into a single one. The folder "1.1billion-structure-inference" contains 1.1 billion atomistic structures randomly generated. Each structures is associated with energy and forces predicted with the lead-PaiNN model combined with the MLP model for reconciliation of the multi-branch predictions generated by the 16 output decoding heads. The folder "1.1billion-structure-inference" contains 9,300 (*.tar.gz) subdirectories, one per Frontier compute node used to execute the inference at exascale. Once uncompressed, each (*.tar.gz) subdirectory contains an ADIOS2 (*.bp) file container, where each atomistic structure is stored as a PyTorch-Geometric Data object. The file "export_dataset_environment_variables.sh" contains the environment variables that need to be set before running the HydraGNN code to reproduce the results provided in this dataset release. The code that can be used to load the ADIOS2 files, load HydraGNN models, and run inference is available at: https://github.com/ORNL/HydraGNN/releases/tag/v5.0

36 MATERIALS SCIENCE↗
NASA NTRS1993

Development of global/chemistry model for jet-fuel thermal stability based on observations from static and flowing experiments

Two global-chemistry models for oxidative deposition of jet fuels are evaluated by integrating them into a Computational Fluid Dynamics with Chemistry (CFDC) code. A previously developed two-step global-chemistry model was found to be insufficient to describe the thermal-oxidation and -deposition rates associated with a Jet-A fuel. A new global-chemistry model has been developed systematically based on observations from flowing and static experiments. The global-autoxidation reaction is modified such that the reaction rate becomes zeroth-order with respect to the dissolved oxygen concentration. The generation of deposit-forming precursor is coupled with the autoxidation reaction by introducing a radical species ROO. A formulation for the sticking probability has also been developed. Deposition profiles are well represented by this new model under a variety of temperature and flow conditions. The model correctly predicts the changes in magnitude and spatial location of the deposition peak due to changes in flow. The CFDC model, which is designed for flowing systems, has been extended to static experiments. The model incorporates a non-depleting species F(sub s) representing all non-oxygen compounds responsible for deposition. Static experiments were found to provide a useful and inexpensive method for estimating the concentration of F(sub s) in the fuel.

V. R. Katta↗
DOE OSTI2026

Dynamic control of quantum phases in two-dimensional materials via Floquet engineering

The dynamical engineering of quantum states through periodic optical driving, known as Floquet engineering, has emerged as a powerful frontier in condensed matter physics, offering a pathway to realize material properties inaccessible in static equilibrium. This review provides a comprehensive overview of recent theoretical and experimental advances in the optical manipulation of two-dimensional (2D) quantum materials. We begin by systematically reviewing the evolution of the field from its pioneering applications in graphene and twisted moiré superlattices, highlighting the experimental realization of the light-induced anomalous Hall effect (AHE) to the complex spin-valley physics in transition metal dichalcogenides (TMDs). Furthermore, we briefly examine recent advances in 2D magnetic materials, demonstrating how optical driving can actively compete with intrinsic magnetism to dynamically switch magnetic orders and topological invariants. Moreover, we discuss the emerging frontiers of multi-frequency driving, quantum optimal control theory (QOCT), and ultrafast lightwave electronics. We highlight how tailored waveforms, such as bicircular light fields, and sub-cycle attosecond control can selectively break spatial symmetries to generate novel nonlinear photocurrents, mitigate dissipation, and extend the boundaries of quantum control well beyond the perturbative steady-state regime. Finally, we summarize the key experimental challenges for Floquet engineering, including effects such as heating and scattering, which limit coherent quantum control.

Wang, Wenpeng [Northeastern University, Shenyang, ↗
DOE OSTI2026

Integration of Online Cross-Section Generation Capability with Depletion and Transient Solvers in Griffin

Griffin is a Multiphysics Object-Oriented Simulation Environment (MOOSE)-based reactor multiphysics analysis application jointly developed by Argonne and Idaho National Laboratories under the DOENE Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. In FY25, an online crosssection generation capability based on the Self-Shielding Application Programming Interface (SSAPI) was demonstrated for TRISO-fueled reactor problems under steady-state conditions. This fiscal year, that capability was extended to support depletion and transient multiphysics calculations, enabling high-fidelity analyses that generate self-shielded cross sections on the fly from the actual evolving composition and temperature states rather than from pre-tabulated libraries. For depletion, a two-way coupling was established in which SSAPI computes compact-averaged self-shielded cross sections that the depletion solver then uses to advance the Bateman equations, with the updated compositions returned to SSAPI at each step; the depletion module was refactored to support both library-based and SSAPI-based cross sections, and additional logic was added to track daughter isotopes and to exclude minor isotopes for efficiency. For transient analysis, the SSAPI multigroup library was extended with the kinetics data required for time-dependent calculations, the Improved Quasi-Static (IQS) scheme was coupled with SSAPI, and several supporting capabilities were implemented, including a self-shielding treatment that lets control rods and drums move within a self-shielded model, which had previously been impossible and had ruled out rod- and drum-movement transients with on-the-fly cross sections altogether, a new mixing scheme for delayed-neutron precursor decay constants, a checkpoint-based restart workflow, and performance improvements such as pointwise cross-section interpolation and the bypassing of unnecessary Dancoff factor calculations. The implemented capabilities were verified against Serpent Monte Carlo solutions. For depletion, a prismatic pin-cell problem based on a Next Generation Nuclear Plant (NGNP) Very High Temperature Reactor benchmark showed excellent agreement, with eigenvalue differences within 200 pcm over the entire burnup range (up to 140 MWD/kgU) and fission-product and actinide inventories agreeing to within 0.8% and 2.5%, respectively; a heat-pipe microreactor assembly problem with a much higher fuel loading confirmed the same behavior and quantified the bias introduced when the multigroup equivalence effect is neglected. For transient analysis, a pin-cell problem with a step reactivity insertion and temperature feedback reproduced the analytically expected asymptotic power and showed close agreement between the direct and IQS solutions, and a two-dimensional microreactor core problem with control-drum rotation exercised the new moving-drum self-shielding treatment and demonstrated successful coupling of the online crosssection generation with both the direct and IQS transient methods. The capability was further exercised on a full-core pebble-bed problem, in which Griffin was coupled with the System Analysis Module (SAM) to simulate load-following operation of the gPBR with the Doppler feedback resolved at the TRISO fuel kernel temperature. These developments in Griffin provide a convenient, high-fidelity approach to cross-section generation for advanced thermal reactors with geometrically complex and highly heterogeneous configurations, including TRISO-fueled prismatic and pebble-bed systems, and support steady-state, depletion, and transient multiphysics calculations. They also enable self-shielded cross sections to be evaluated directly at the actual coupled state of the system, thereby establishing a foundation for high-fidelity, fully coupled multiphysics analysis of advanced reactors

Park, H.↗
NASA NTRS1995

Thermal Neutral Format Based on the Step Technology

The exchange of models is one of the most serious problems currently encountered in the practice of spacecraft thermal analysis. Essentially, the problem originates in the diversity of computing environments that are used across different sites, and the consequent proliferation of native tool formats. Furthermore, increasing pressure to reduce the development's life cycle time has originated a growing interest in the so-called spacecraft concurrent engineering. In this context, the realization of the interdependencies between different disciplines and the proper communication between them become critical issues. The use of a neutral format represents a step forward in addressing these problems. Such a means of communication is adopted by consensus. A neutral format is not directly tied to any specific tool and it is kept under stringent change control. Currently, most of the groups promoting exchange formats are contributing with their experience to STEP, the Standard for Exchange of Product Model Data, which is being developed under the auspices of the International Standards Organization (ISO 10303). This paper presents the different efforts made in Europe to provide the spacecraft thermal analysis community with a Thermal Neutral Format (TNF) based on STEP. Following an introduction with some background information, the paper presents the characteristics of the STEP standard. Later, the first efforts to produce a STEP Spacecraft Thermal Application Protocol are described. Finally, the paper presents the currently harmonized European activities that follow up and extend earlier work on the area.

P Planas Almazan↗
NASA NTRS2026

Tidal Tomography Reveals a Thermal Anomaly Beneath Mars’s Crustal Dichotomy

Mars undergoes seasonal tidal forcing as a result of its eccentric orbit and the tilt of its rotation axis relative to the Sun1. Response to this forcing produces temporal variations in the Martian gravity field and is sensitive to the internal structure of the planet2,3,4. Using tracking data from the Mars Global Surveyor (MGS), Mars Odyssey (ODY) and Mars Reconnaissance Orbiter (MRO) spacecraft5,6,7, we demonstrate that degree-3 components of the time-variable gravity field of Mars differ by up to 300% from predictions for a spherically symmetric planet8,9,10. These deviations can be explained if the effective shear modulus of the mantle varies by >20% over a roughly north–south pattern that closely aligns with the surface expression of the Martian crustal dichotomy11. On the basis of this correlation, we infer preservation of a 200–400 °C thermal anomaly in the present-day mantle below the southern highlands of Mars. This temperature variation could reflect regional mantle convection12,13 or insulation by the thick southern highlands crust of Mars that has persisted over several billion years14,15.

Mars↗
NASA NTRS1998

Summary of Research Report

Ten papers, published in various publications, on buckling, and the effects of imperfections on various structures are presented. These papers are: (1) Buckling mode localization in elastic plates due to misplacement in the stiffner location; (2) On vibrational imperfection sensitivity on Augusti's model structure in the vicinity of a non-linear static state; (3) Imperfection sensitivity due to elastic moduli in the Roorda Koiter frame; (4) Buckling mode localization in a multi-span periodic structure with a disorder in a single span; (5) Prediction of natural frequency and buckling load variability due to uncertainty in material properties by convex modeling; (6) Derivation of multi-dimensional ellipsoidal convex model for experimental data; (7) Passive control of buckling deformation via Anderson localization phenomenon; (8)Effect of the thickness and initial im perfection on buckling on composite cylindrical shells: asymptotic analysis and numerical results by BOSOR4 and PANDA2; (9) Worst case estimation of homology design by convex analysis; (10) Buckling of structures with uncertain imperfections - Personal perspective.

Isaac Elishakoff↗
NASA NTRS2010

Evaluation of Anomaly Detection Capability for Ground-Based Pre-Launch Shuttle Operations

This chapter will provide a thorough end-to-end description of the process for evaluation of three different data-driven algorithms for anomaly detection to select the best candidate for deployment as part of a suite of IVHM (Integrated Vehicle Health Management) technologies. These algorithms were deemed to be sufficiently mature enough to be considered viable candidates for deployment in support of the maiden launch of Ares I-X, the successor to the Space Shuttle for NASA's Constellation program. Data-driven algorithms are just one of three different types being deployed [3],[5]. The other two types of algorithms being deployed include a "rule-based" expert system, and a "model-based" system. Within these two categories, the deployable candidates have already been selected based upon qualitative factors such as flight heritage. For the rile-based system, SHINE (Spacecraft High-speed Inference Engine) has been selected for deployment, which is a component of BEAM (Beacon-based Exception Analysis for Multimissions) [4], a patented technology developed at NASA's JPL (Jet Propulsion Laboratory) and serves to aid in the management and identification of operational modes. For the "model-based" system, a commercially available package developed by QSI (Qualtech Systems, Inc.), TEAMS (Testability Engineering and Maintenance System) [1] has been selected for deployment to aid in diagnosis. In the context of this particular deployment, distinctions among the use of the terms "data-driven," "rule-based," and "model-based," call found in [5]. Although there are three different categories of algorithms that have been selected for deployment, our main focus in this chapter will be on the evaluation of three candidates for data-driven anomaly detection. These algorithms will be evaluated upon their capability for robustly detecting incipient faults or failures in the ground-based phase of pre-launch space shuttle operations, rather than based oil heritage as performed in previous studies [5]. Robust detection will allow for the achievement of pre-specified minimum false alarm and/or missed detection rates in the selection of alert thresholds. All algorithms will also be optimized with respect to all of these same criteria. Our study relies upon the use of Shuttle data to act as was a proxy for and in preparation for application to Ares I-X data, which uses a very similar hardware platform for the subsystems that are being targeted (TVC - Thrust Vector Control subsystem for the SRB (Solid Rocket Booster)).

False Alarms↗
NASA NTRS2012

Analysis of Screen Channel LAD Bubble Point Tests in Liquid Methane at Elevated Temperature

This paper examines the effect of varying the liquid temperature and pressure on the bubble point pressure for screen channel Liquid Acquisition Devices in cryogenic liquid methane using gaseous helium across a wide range of elevated pressures and temperatures. Testing of a 325 x 2300 Dutch Twill screen sample was conducted in the Cryogenic Components Lab 7 facility at the NASA Glenn Research Center in Cleveland, Ohio. Test conditions ranged from 105 to 160K and 0.0965 – 1.78 MPa. Bubble point is shown to be a strong function of the liquid temperature and a weak function of the amount of subcooling at the LAD screen. The model predicts well for saturated liquid but under predicts the subcooled data.

Reaction Control System↗
DOE OSTI2026

Reduced-order CFD modeling of cryogenic hydrogen isotope extrusion for pellet fueling

This study presents a reduced-order model (ROM) for computational fluid dynamics (CFD) simulations of cryogenic hydrogen isotope extrusions, focusing on protium (H₂) and deuterium (D₂) piston extruders. Using a 2D axisymmetric ROM in ANSYS-Polyflow, significant computational savings were achieved (runtime reduced from 9∼24 h to 3∼5 min), with extrusion force discrepancies between the 2D ROM and 3D models being on the order of 1%. Parametric studies identified optimal cutoff shear rates in the viscosity model (0.01/s for H₂ and 0.001/s for D₂), providing recommendations for future simulations. Finally, a comprehensive comparison of ROM results with experimental data was performed across varying geometries, cryogenic materials, temperatures, extrusion lengths, and piston velocities. Predictions at low extrusion temperatures met the objective of providing quick and efficient solutions with an acceptable extrusion force error of approximately 10% or less, validating the effectiveness of the 2D ROM approach. However, at high temperatures closer to the triple point, extrusion force error grows, which necessitates developing an improved model that accounts for temperature effects, e.g. melting. Nevertheless, the findings still represent a significant improvement in efficiency of CFD modeling of cryogenic hydrogenic extrusion. The ROM framework can also be extended to tritium (T2) and screw extruders, which will ultimately provide a fast and effective tool for optimizing pellet injector design for ITER and future reactor systems.

Fan, Joy [ORNL] (ORCID:0000000229751735)↗
DOE OSTI2026

Nanoscale Compositional and Strain Gradients Enable High‐Speed and Amplitude‐Resolved Pyroelectric Sensing

The frequency response of pyroelectric sensors is fundamentally governed by thermal time constant (τth, determined by thermal mass and thermal conductance) and electrical impedance arising from film capacitance and readout circuit. Conventional bulk LiTaO3 detectors are optimized for high responsivity at low modulation frequencies (0.1-10 Hz), possessing a large τth that thermally averages rapid temperature oscillations at elevated modulation frequencies, limiting fidelity in resolving dynamic varying thermal signals. Here, compositional and strain gradients are introduced into 100-nm-thick relaxor-ferroelectric films reducing τth to ≈2 µs and producing built-in potentials (≈1.45 V or 145 kV cm-1) that enhance the pyroelectric coefficient and suppress the dielectric constant. This enables complementary dual-mode operation by enhancing current-mode electrical responsivity and improving the voltage-mode figure of merit - advantageous for superior temperature resolution (ΔTmin ≈ 30 µK). The responsivity peak shifts to near 1 kHz (>2500-times higher than conventional bulk sensors), with measurable responsivity extending to a carrier frequency of 100 kHz and amplitude-resolved detection at modulation frequencies up to 15 kHz. These results establish nanoscale internal-field engineering can reshape electro-thermal trade-off in pyroelectric thin films toward zero-bias, high-thermal-sensitivity, and amplitude-resolved thermal sensing across a wide frequency bandwidth.

Lin, Ching‐Che↗
DOE OSTI2025

What is the Quark-Gluon Plasma made of?

This article surveys our present understanding of the internal structure of the fully developed quark-gluon plasma at temperatures outside the crossover region. The theoretical part of the review covers perturbative and nonperturbative approaches to quark-gluon plasma structure, in particular, hard-thermal loop effective theory, lattice QCD and the functional renormalization group. The phenomenological part of the review scrutinizes the information that has been derived from bulk observables and hard probes in relativistic heavy ion collisions in terms of how it informs our knowledge about the structure of the quark-gluon plasma. The final section lists possible avenues for future progress.

FOS: Physical sciences↗
NASA NTRS1963

The Detection of Water Vapor on Mars

We have found eleven weak lines of water vapor on a high dispersion near-infrared spectrogram of Mars taken at the coudè focus of the Mount Wilson 100-inch reflector on April 12/13,1963. We exposed 43 hours on ammoniated IV-N emulsion with a dispersion of 5.6 A/mm; the plate is well exposed at the poles and somewhat overexposed at the center of the planet’s disk. The Martian H 2 O lines in the X 8200 water-vapor band are displaced 0.42 A longward of their telluric counterparts due to the relative velocities of the earth and Mars: AV = +15 km/sec on that date. The Martian lines are strongest over the poles of the planet-we set the spectrograph slit daost north-south to cover both polar regions. This apparent polar strengthening of the Martian H 2 O lines is at least partially due to the increased air mass through the line of sight to high latitudes.

MARS /PLANET/↗
DOE OSTI2024

Resonant Metasurfaces with Van Der Waals Hyperbolic Nanoantennas and Extreme Light Confinement

This work reports on a metasurface based on optical nanoantennas made of van der Waals material hexagonal boron nitride. The optical nanoantenna made of hyperbolic material was shown to support strong localized resonant modes stemming from the propagating high-k waves in the hyperbolic material. An analytical approach was used to determine the mode profile and type of cuboid nanoantenna resonances. An electric quadrupolar mode was demonstrated to be associated with a resonant magnetic response of the nanoantenna, which resembles the induction of resonant magnetic modes in high-refractive-index nanoantennas. The analytical model accurately predicts the modes of cuboid nanoantennas due to the strong boundary reflections of the high-k waves, a capability that does not extend to plasmonic or high-refractive-index nanoantennas, where the imperfect reflection and leakage of the mode from the cavity complicate the analysis. In the reported metasurface, excitations of the multipolar resonant modes are accompanied by directional scattering and a decrease in the metasurface reflectance to zero, which is manifested as the resonant Kerker effect. Van der Waals nanoantennas are envisioned to support localized resonances and can become an important functional element of metasurfaces and transdimensional photonic components. By designing efficient subwavelength scatterers with high-quality-factor resonances, this work demonstrates that this type of nanoantenna made of naturally occurring hyperbolic material is a viable substitute for plasmonic and all-dielectric nanoantennas in developing ultra-compact photonic components.

Chemistry↗
DOE OSTI2025

Decoupling Failure Pathways in Li-O 2 Cells Operated Under Lean Electrolyte Conditions

The operation of lithium-oxygen (Li-O 2 ) batteries under lean electrolyte conditions offers higher energy density but leads to rapid degradation and short cycle life. Although cathode passivation and electrolyte decomposition occur in all regimes, we show that under lean electrolyte conditions, failure is primarily driven by progressive electrolyte consumption at the lithium/solid electrolyte interphase (SEI), rather than by irreversible cathode passivation. Poor wetting of the lithium surface results in heterogeneous SEI growth and high local current densities, which accelerate electrolyte loss and cell failure. Strategies aimed at improving interfacial stability, including optimized wetting and SEI forming additives, significantly extend cycle life without compromising energy density. Our results establish anode-electrolyte interactions as the dominant degradation mechanism under lean electrolyte conditions, and emphasize the need to engineer a stable Li/SEI interface for long-lasting Li-O 2 batteries.

Córdoba, Daniel [Argonne National Laboratory (ANL)↗
DOE OSTI2025

Robust and tunable oxide nanoscrolls for solar-driven H 2 generation and storage

Hydrogen gas is a promising alternative to fossil fuels due to its high energy output and environmentally safe byproducts. Various morphologies of photocatalytic materials have been explored for high-efficiency H 2 production, for instance, quasi-1D nanoscroll structures that provide a larger surface-to-volume ratio. Recently, we predicted layer-by-layer formation of stable oxide nanoscrolls directly from dichalcogenide precursors, eliminating the need for costly formation of two-dimensional oxides for a roll-up synthesis of nanoscrolls. Here, in this study, we evaluate the suitability of those oxide nanoscroll materials—MoO 3 , WO 3 , PdO 2 , HfO 2 , and GeO 2 —for solar-driven photocatalytic H 2 production and storage. Using excited state theory coupled with Bethe–Salpeter equation simulations, we discern their electronic and optical properties as a function of interlayer scroll spacing and find them to be highly conducive for solar-driven photocatalysis. Additionally, using ab initio molecular dynamics simulations, we show that they are also suitable for H 2 storage as the nanoscrolls exhibit an effective trapping of hydrogen, even in the presence of defects and vacancies in the oxides. This work thus demonstrates the discovery of robust and tunable oxide nanoscrolls as materials for advancing solar-driven hydrogen technologies.

Chemical compounds↗